3-amino-4-(3-ethoxyanilino)-N-methylbenzamide

C16H19N3O2 — CID 82991688

IUPAC3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
SMILESCCOc1cccc(Nc2ccc(C(=O)NC)cc2N)c1
InChIInChI=1S/C16H19N3O2/c1-3-21-13-6-4-5-12(10-13)19-15-8-7-11(9-14(15)17)16(20)18-2/h4-10,19H,3,17H2,1-2H3,(H,18,20)
InChIKeyVSJVXPHUBYFSGD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds5

About 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide

3-amino-4-(3-ethoxyanilino)-N-methylbenzamide (PubChem CID 82991688) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
PubChem CID82991688
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
SMILESCCOc1cccc(Nc2ccc(C(=O)NC)cc2N)c1
InChIInChI=1S/C16H19N3O2/c1-3-21-13-6-4-5-12(10-13)19-15-8-7-11(9-14(15)17)16(20)18-2/h4-10,19H,3,17H2,1-2H3,(H,18,20)
InChIKeyVSJVXPHUBYFSGD-UHFFFAOYSA-N
XLogP2.77
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904
N-(3-ethoxyphenyl)-3-methyl-4-(methylamino)benzamide
CID 63213981
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
N-(2-amino-4-methylphenyl)-3-ethoxybenzamide
CID 56773265
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide (CID 82991688) is 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide is CCOc1cccc(Nc2ccc(C(=O)NC)cc2N)c1.
What is the InChIKey of 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide?
The InChIKey is VSJVXPHUBYFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-13-6-4-5-12(10-13)19-15-8-7-11(9-14(15)17)16(20)18-2/h4-10,19H,3,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide?
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethoxyanilino)-N-methylbenzamide is sourced from PubChem (CID 82991688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).